methyl 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetate

C11H18N4O2S — CID 133328682

IUPACmethyl 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetate
SMILESCCc1nsc(N2CCN(CC(=O)OC)CC2)n1
InChIInChI=1S/C11H18N4O2S/c1-3-9-12-11(18-13-9)15-6-4-14(5-7-15)8-10(16)17-2/h3-8H2,1-2H3
InChIKeyOEVLIWQNTRMOAZ-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.40
Rot. Bonds4

About methyl 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetate

methyl 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetate (PubChem CID 133328682) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is methyl 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetate
PubChem CID133328682
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Namemethyl 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetate
SMILESCCc1nsc(N2CCN(CC(=O)OC)CC2)n1
InChIInChI=1S/C11H18N4O2S/c1-3-9-12-11(18-13-9)15-6-4-14(5-7-15)8-10(16)17-2/h3-8H2,1-2H3
InChIKeyOEVLIWQNTRMOAZ-UHFFFAOYSA-N
XLogP0.40
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-ethyl-5-[4-(2-methoxyethyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133328564
2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77064349
3-ethyl-5-(4-propylpiperazin-1-yl)-1,2,4-thiadiazole
CID 90141837
methyl 2-[4-(5-propyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]acetate
CID 75382019
1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid
CID 65273603
ethyl (2R)-2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoate
CID 124505890
3-ethyl-5-[4-(3-fluoropropyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 126817237
3-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one
CID 119893652
2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide
CID 133328642
3-ethyl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133328707
4-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-methoxybutan-1-one;dihydrochloride
CID 120597216
2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanethioamide
CID 65272500

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetate?
The IUPAC name of methyl 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetate (CID 133328682) is methyl 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetate is CCc1nsc(N2CCN(CC(=O)OC)CC2)n1.
What is the InChIKey of methyl 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetate?
The InChIKey is OEVLIWQNTRMOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-3-9-12-11(18-13-9)15-6-4-14(5-7-15)8-10(16)17-2/h3-8H2,1-2H3.
What are the key properties of methyl 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetate?
methyl 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetate has a molecular weight of 270.36 g/mol, XLogP of 0.40, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetate is sourced from PubChem (CID 133328682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).